4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol

C12H12F3N3O2 — CID 136968286

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(-c2cc(N)n(C)n2)cc(C(F)(F)F)c1O
InChIInChI=1S/C12H12F3N3O2/c1-18-10(16)5-8(17-18)6-3-7(12(13,14)15)11(19)9(4-6)20-2/h3-5,19H,16H2,1-2H3
InChIKeyDGRGOARGDRWWFU-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.40
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol

4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol (PubChem CID 136968286) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
PubChem CID136968286
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(-c2cc(N)n(C)n2)cc(C(F)(F)F)c1O
InChIInChI=1S/C12H12F3N3O2/c1-18-10(16)5-8(17-18)6-3-7(12(13,14)15)11(19)9(4-6)20-2/h3-5,19H,16H2,1-2H3
InChIKeyDGRGOARGDRWWFU-UHFFFAOYSA-N
XLogP2.40
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol (CID 136968286) is 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol is COc1cc(-c2cc(N)n(C)n2)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is DGRGOARGDRWWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-18-10(16)5-8(17-18)6-3-7(12(13,14)15)11(19)9(4-6)20-2/h3-5,19H,16H2,1-2H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol?
4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 287.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 136968286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).